(4Z)-4-hydroxyimino-3-oxopentanamide

C5H8N2O3 — CID 21312506

IUPAC(4Z)-4-hydroxyimino-3-oxopentanamide
SMILESC/C(=N/O)C(=O)CC(N)=O
InChIInChI=1S/C5H8N2O3/c1-3(7-10)4(8)2-5(6)9/h10H,2H2,1H3,(H2,6,9)/b7-3-
InChIKeyDXSUEDFLJFWGCM-CLTKARDFSA-N
MW144.13 g/mol
LogP-0.72
Rot. Bonds3

About (4Z)-4-hydroxyimino-3-oxopentanamide

(4Z)-4-hydroxyimino-3-oxopentanamide (PubChem CID 21312506) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-3-oxopentanamide.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-3-oxopentanamide
PubChem CID21312506
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(4Z)-4-hydroxyimino-3-oxopentanamide
SMILESC/C(=N/O)C(=O)CC(N)=O
InChIInChI=1S/C5H8N2O3/c1-3(7-10)4(8)2-5(6)9/h10H,2H2,1H3,(H2,6,9)/b7-3-
InChIKeyDXSUEDFLJFWGCM-CLTKARDFSA-N
XLogP-0.72
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-hydroxyimino-3-oxopentanamide?
The IUPAC name of (4Z)-4-hydroxyimino-3-oxopentanamide (CID 21312506) is (4Z)-4-hydroxyimino-3-oxopentanamide.
What is the SMILES notation for (4Z)-4-hydroxyimino-3-oxopentanamide?
The canonical SMILES for (4Z)-4-hydroxyimino-3-oxopentanamide is C/C(=N/O)C(=O)CC(N)=O.
What is the InChIKey of (4Z)-4-hydroxyimino-3-oxopentanamide?
The InChIKey is DXSUEDFLJFWGCM-CLTKARDFSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3(7-10)4(8)2-5(6)9/h10H,2H2,1H3,(H2,6,9)/b7-3-.
What are the key properties of (4Z)-4-hydroxyimino-3-oxopentanamide?
(4Z)-4-hydroxyimino-3-oxopentanamide has a molecular weight of 144.13 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyimino-3-oxopentanamide is sourced from PubChem (CID 21312506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).